(4R)-4-amino-3-methyl-1-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]imidazolidin-2-one

C12H16F3N3O — CID 148531635

IUPAC(4R)-4-amino-3-methyl-1-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]imidazolidin-2-one
SMILESCN1C(=O)N(CC2=CC=C(C(F)(F)F)CC2)C[C@@H]1N
InChIInChI=1S/C12H16F3N3O/c1-17-10(16)7-18(11(17)19)6-8-2-4-9(5-3-8)12(13,14)15/h2,4,10H,3,5-7,16H2,1H3/t10-/m1/s1
InChIKeyMQKDHFXAUOTZAJ-SNVBAGLBSA-N
MW275.27 g/mol
LogP1.85
Rot. Bonds2

About (4R)-4-amino-3-methyl-1-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]imidazolidin-2-one

(4R)-4-amino-3-methyl-1-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]imidazolidin-2-one (PubChem CID 148531635) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is (4R)-4-amino-3-methyl-1-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-amino-3-methyl-1-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]imidazolidin-2-one
PubChem CID148531635
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name(4R)-4-amino-3-methyl-1-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]imidazolidin-2-one
SMILESCN1C(=O)N(CC2=CC=C(C(F)(F)F)CC2)C[C@@H]1N
InChIInChI=1S/C12H16F3N3O/c1-17-10(16)7-18(11(17)19)6-8-2-4-9(5-3-8)12(13,14)15/h2,4,10H,3,5-7,16H2,1H3/t10-/m1/s1
InChIKeyMQKDHFXAUOTZAJ-SNVBAGLBSA-N
XLogP1.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-3-methyl-1-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]imidazolidin-2-one?
The IUPAC name of (4R)-4-amino-3-methyl-1-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]imidazolidin-2-one (CID 148531635) is (4R)-4-amino-3-methyl-1-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]imidazolidin-2-one.
What is the SMILES notation for (4R)-4-amino-3-methyl-1-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]imidazolidin-2-one?
The canonical SMILES for (4R)-4-amino-3-methyl-1-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]imidazolidin-2-one is CN1C(=O)N(CC2=CC=C(C(F)(F)F)CC2)C[C@@H]1N.
What is the InChIKey of (4R)-4-amino-3-methyl-1-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]imidazolidin-2-one?
The InChIKey is MQKDHFXAUOTZAJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-17-10(16)7-18(11(17)19)6-8-2-4-9(5-3-8)12(13,14)15/h2,4,10H,3,5-7,16H2,1H3/t10-/m1/s1.
What are the key properties of (4R)-4-amino-3-methyl-1-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]imidazolidin-2-one?
(4R)-4-amino-3-methyl-1-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]imidazolidin-2-one has a molecular weight of 275.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-3-methyl-1-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]imidazolidin-2-one is sourced from PubChem (CID 148531635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).